#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/55/9015589.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015589
loop_
_publ_author_name
'Bosi, F.'
'Halenius, U.'
'D'Ippolito V'
'Andreozzi, G. B.'
_publ_section_title
;
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl34
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1834
_journal_page_last               1840
_journal_paper_doi               10.2138/am.2012.4139
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Co0.48 Mg0.52 O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0914
_cell_length_b                   8.0914
_cell_length_c                   8.0914
_cell_formula_units_Z            8
_cell_volume                     529.750
_database_code_amcsd             0019579
_exptl_crystal_density_diffrn    3.984
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Co.48 Mg.52 Al2) O4'
_cod_database_code               9015589
loop_
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x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
3/4+z,1/2-x,1/4+y
3/4+z,-x,3/4+y
1/4+z,1/2-x,3/4+y
1/4+z,-x,1/4+y
3/4-y,1/2+z,1/4-x
3/4-y,+z,3/4-x
1/4-y,1/2+z,3/4-x
1/4-y,+z,1/4-x
3/4+x,1/2-y,1/4+z
3/4+x,-y,3/4+z
1/4+x,1/2-y,3/4+z
1/4+x,-y,1/4+z
3/4-z,1/2+x,1/4-y
3/4-z,+x,3/4-y
1/4-z,1/2+x,3/4-y
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3/4+y,1/2-z,1/4+x
3/4+y,-z,3/4+x
1/4+y,1/2-z,3/4+x
1/4+y,-z,1/4+x
3/4-x,1/2+y,1/4-z
3/4-x,+y,3/4-z
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1/4-x,+y,1/4-z
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1/2-z,-y,1/2-x
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1/2+y,1/2+x,+z
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-x,-z,-y
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z,1/2+y,1/2+x
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1/2+z,1/2+y,+x
1/2+z,+y,1/2+x
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1/2-y,-x,1/2-z
3/4+z,1/4+x,1/2-y
3/4+z,3/4+x,-y
1/4+z,1/4+x,-y
1/4+z,3/4+x,1/2-y
3/4-y,1/4-z,1/2+x
3/4-y,3/4-z,+x
1/4-y,1/4-z,+x
1/4-y,3/4-z,1/2+x
3/4+x,1/4+y,1/2-z
3/4+x,3/4+y,-z
1/4+x,1/4+y,-z
1/4+x,3/4+y,1/2-z
3/4-z,1/4-x,1/2+y
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1/4-z,1/4-x,+y
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3/4+y,1/4+z,1/2-x
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1/4+y,3/4+z,1/2-x
3/4-x,1/4-y,1/2+z
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1/2+y,1/4-z,3/4-x
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z,3/4-x,3/4-y
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1/4+y,-x,1/4+z
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3/4+y,-x,3/4+z
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1/4-x,3/4-z,1/2+y
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3/4+z,3/4+y,-x
3/4+z,1/4+y,1/2-x
1/4+z,3/4+y,1/2-x
1/4+z,1/4+y,-x
3/4-y,3/4-x,z
3/4-y,1/4-x,1/2+z
1/4-y,3/4-x,1/2+z
1/4-y,1/4-x,z
3/4+x,3/4+z,-y
3/4+x,1/4+z,1/2-y
1/4+x,3/4+z,1/2-y
1/4+x,1/4+z,-y
3/4-z,3/4-y,x
3/4-z,1/4-y,1/2+x
1/4-z,3/4-y,1/2+x
1/4-z,1/4-y,x
3/4+y,3/4+x,-z
3/4+y,1/4+x,1/2-z
1/4+y,3/4+x,1/2-z
1/4+y,1/4+x,-z
-z,-x,-y
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
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-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
-y,-z,-x
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
CoT 0.12500 0.12500 0.12500 0.44000
MgT 0.12500 0.12500 0.12500 0.37000
AlT 0.12500 0.12500 0.12500 0.19000
CoM 0.50000 0.50000 0.50000 0.02000
MgM 0.50000 0.50000 0.50000 0.07500
AlM 0.50000 0.50000 0.50000 0.90500
O 0.26281 0.26281 0.26281 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019579
